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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:3-methylthiofentanyl
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Accession:CHEBI:53763 term browser browse the term
Definition:A piperidine compound having a (2-thienyl)ethyl substituent at the 1-position, a methyl group at the 3-position and an N-phenylpropanamido group at the 4-position.
Synonyms:exact_synonym: N-{3-methyl-1-[2-(2-thienyl)ethyl]piperidin-4-yl}-N-phenylpropanamide
 related_synonym: 3-Methyl-thiofentanyl;   Formula=C21H28N2OS;   InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3;   InChIKey=SRARDYUHGVMEQI-UHFFFAOYSA-N;   N-(3-Methyl-1-(2-thienyl)ethyl-4-piperidinyl)-N-phenylpropanamide;   SMILES=CCC(=O)N(C1CCN(CCc2cccs2)CC1C)c1ccccc1
 xref: CAS:86052-04-2;   DrugBank:DB01439;   PMID:16621415


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  CHEBI ontology 503
    role 503
      biological role 503
        pharmacological role 168
          analgesic 21
            opioid analgesic 0
              3-methylthiofentanyl 0
                (3R)-methylthiofentanyl 0
                (3S)-methylthiofentanyl 0
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  CHEBI ontology 503
    subatomic particle 503
      composite particle 503
        hadron 503
          baryon 503
            nucleon 503
              atomic nucleus 503
                atom 503
                  main group element atom 496
                    main group molecular entity 496
                      s-block molecular entity 441
                        hydrogen molecular entity 440
                          hydrides 372
                            inorganic hydride 333
                              pnictogen hydride 332
                                nitrogen hydride 332
                                  azane 327
                                    ammonia 327
                                      organic amino compound 327
                                        primary amino compound 9
                                          primary amine 5
                                            primary arylamine 5
                                              aniline 5
                                                anilide 2
                                                  3-methylthiofentanyl 0
                                                    (3R)-methylthiofentanyl 0
                                                    (3S)-methylthiofentanyl 0
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